HRID2313385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID11011152

Propanoic acid, 2-bromo-3-(phenylmethoxy)-, methyl ester

C11H13BrO3

结构：CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)C1CCNCC1

HCID57815461

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(COCc1ccccc1)N1CCC(N(Cc2cc3c(cn2)OCCO3)C(=O)OC(C)(C)C)CC1

HCID68597436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79f5dc4df1fa434e9be280e1347ff889
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:26][CH:27]([C:28](=[O:29])[O:30][CH3:31])[CH2:32][O:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[C:41](=[O:42])([O-:43])[O-:44].[K+:45].[K+:46].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[cH:6][n:7][c:8]([CH2:11][N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[cH:9][c:10]21.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[O:1]1[CH2:2][CH2:3][O:4][c:5]2[cH:6][n:7][c:8]([CH2:11][N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH:20]3[CH2:21][CH2:22][N:23]([CH:27]([C:28](=[O:29])[O:30][CH3:31])[CH2:32][O:33][CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[CH2:24][CH2:25]3)[cH:9][c:10]21